2-[Bis[2-[carboxymethyl-[2-oxo-2-(pyren-1-ylamino)ethyl]amino]ethyl]amino]acetic acid | 1012793-09-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-[Bis[2-[carboxymethyl-[2-oxo-2-(pyren-1-ylamino)ethyl]amino]ethyl]amino]acetic acid
• 英文别名: 2-[bis[2-[carboxymethyl-[2-oxo-2-(pyren-1-ylamino)ethyl]amino]ethyl]amino]acetic acid
• CAS: 1012793-09-7
• 化学式: C₄₆H₄₁N₅O₈
• 分子量: 791.86
• InChiKey: YYXNLANBQXHADA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  59
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  180
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-[Bis[2-[carboxymethyl-[2-oxo-2-(pyren-1-ylamino)ethyl]amino]ethyl]amino]acetic acid 、 ytterbium(III) triflate 以 甲醇 为溶剂， 以84%的产率得到ytterbium(III) 2,2'-((((carboxylatomethyl)azanediyl)bis(ethane-2,1-diyl))bis((2-oxo-2-(pyren-1-ylamino)ethyl)azanediyl))diacetate
  参考文献：
  名称：

  Dual-emissive complexes: Visible and near-infrared luminescence from bis-pyrenyl lanthanide(III) complexes

  摘要：

  The syntheses and photophysical attributes of a range of dual-emissive lanthanide complexes are described. The simple ligand architecture is based upon a diethylenetriaminepentaacetic acid (DTPA) core and appended with two arninopyrenyl chromophores to yield the fluorescent free ligand L-pyr. Reaction of the ligand with Ln(tris-trifluoromethanosulfate) gave the mononuclear complexes Ln center dot L-pyr (Ln = Nd, Er, Yb). Luminescence studies revealed that the complexes were emissive in both the near-IR and UV-Vis, the latter resulting from pyrene localised emission (lambda(em) = 390 nm), the former from pyrene-sensitised emission of the lanthanide ion (lambda(ex) = 337 nm). Time-resolved measurements in the near-IR indicated that the number of coordinated solvent molecules for Nd and Yb was <1, confirming the proposed coordination mode of the octadentate L-pyr. The suitability of pyrene as a sensitiser for near-IR emitting lanthanides was further demonstrated in the rare observation of Er-III emission in a non-deuteriated protic medium. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.06.036